N-[1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[4-(3-phenoxypropyl)-1-piperazinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[1-[4-(3-phenoxypropyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N3CCN(CC3)CCCOC4=CC=CC=C4

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N3CCN(CC3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3S/c1-20(26-32(29,30)24-10-5-7-21-19-25-12-11-23(21)24)28-16-14-27(15-17-28)13-6-18-31-22-8-3-2-4-9-22/h2-5,7-12,19-20,26H,6,13-18H2,1H3